Magnesium in PDB 4i94: Structure of BSK8 in Complex with Amp-Pnp

All present enzymatic activity of Structure of BSK8 in Complex with Amp-Pnp:
2.7.11.1;

The structure of Structure of BSK8 in Complex with Amp-Pnp, PDB code: 4i94 was solved by C.Gruetter, D.Rauh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.13 / 1.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	64.100, 74.280, 65.520, 90.00, 105.73, 90.00
R / Rfree (%)	17.5 / 21.8

The binding sites of Magnesium atom in the Structure of BSK8 in Complex with Amp-Pnp (pdb code 4i94). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Structure of BSK8 in Complex with Amp-Pnp, PDB code: 4i94:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Structure of BSK8 in Complex with Amp-Pnp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of BSK8 in Complex with Amp-Pnp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:9.2 occ:1.00 O2B A:ANP401 2.1 10.3 1.0 O3G A:ANP401 2.1 9.5 1.0 OD1 A:ASN71 2.1 10.4 1.0 O2A A:ANP401 2.1 8.7 1.0 O A:HOH628 2.1 8.0 1.0 O A:HOH629 2.1 10.5 1.0 CG A:ASN71 3.0 11.0 1.0 PB A:ANP401 3.1 9.9 1.0 PA A:ANP401 3.3 8.7 1.0 ND2 A:ASN71 3.4 11.2 1.0 PG A:ANP401 3.4 10.7 1.0 O3A A:ANP401 3.5 9.3 1.0 N3B A:ANP401 3.6 9.2 1.0 O A:ASN71 3.9 9.7 1.0 O A:HOH578 4.1 16.4 1.0 CE A:LYS87 4.1 9.9 1.0 C5' A:ANP401 4.1 8.9 1.0 O A:HOH538 4.3 14.9 1.0 O A:HOH557 4.3 16.1 1.0 O1G A:ANP401 4.3 10.3 1.0 O5' A:ANP401 4.3 8.6 1.0 NZ A:LYS87 4.4 11.1 1.0 O1A A:ANP401 4.4 9.3 1.0 CB A:ASN71 4.4 10.9 1.0 C A:ASN71 4.4 10.2 1.0 O2G A:ANP401 4.4 9.6 1.0 O1B A:ANP401 4.5 10.1 1.0 O A:HOH617 4.6 31.1 1.0 CA A:ASN71 4.8 10.8 1.0 N A:ASN71 4.8 12.0 1.0

Magnesium binding site 2 out of 2 in the Structure of BSK8 in Complex with Amp-Pnp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of BSK8 in Complex with Amp-Pnp within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg402 b:12.4 occ:1.00 O3G B:ANP401 2.0 14.9 1.0 O2A B:ANP401 2.1 13.4 1.0 OD1 B:ASN71 2.1 13.6 1.0 O2B B:ANP401 2.2 13.3 1.0 O B:HOH642 2.2 12.8 1.0 O B:HOH641 2.2 20.6 1.0 CG B:ASN71 3.0 14.7 1.0 PB B:ANP401 3.1 15.2 1.0 PA B:ANP401 3.2 13.4 1.0 ND2 B:ASN71 3.4 15.2 1.0 PG B:ANP401 3.4 15.8 1.0 O3A B:ANP401 3.4 13.2 1.0 N3B B:ANP401 3.7 14.0 1.0 O B:ASN71 4.0 15.0 1.0 CE B:LYS87 4.2 13.1 1.0 O B:HOH581 4.2 24.2 1.0 C5' B:ANP401 4.2 12.3 1.0 O5' B:ANP401 4.2 12.7 1.0 O1G B:ANP401 4.2 15.6 1.0 O B:HOH578 4.2 20.8 1.0 NZ B:LYS87 4.3 13.5 1.0 O B:HOH626 4.3 19.5 1.0 O1A B:ANP401 4.3 11.5 1.0 CB B:ASN71 4.4 14.2 1.0 O2G B:ANP401 4.4 14.1 1.0 C B:ASN71 4.4 13.7 1.0 O1B B:ANP401 4.5 16.7 1.0 O B:HOH658 4.6 37.0 1.0 CA B:ASN71 4.8 14.5 1.0 N B:ASN71 4.8 16.0 1.0

C.Grutter, S.Sreeramulu, G.Sessa, D.Rauh. Structural Characterization of the Rlck Family Member BSK8: A Pseudokinase with An Unprecedented Architecture J.Mol.Biol. V. 425 4455 2013.
ISSN: ISSN 0022-2836
PubMed: 23911552
DOI: 10.1016/J.JMB.2013.07.034